Monomers
Maleimide
Identifiers
IUPAC name
pyrrole-2,5-dione
InchI
InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
InchI Key
PEEHTFAAVSWFBL-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1
Canonical SMILES
C1=CC(=O)NC1=O
Isomeric SMILES
C1=CC(=O)NC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H3NO2
Heavy Atom Count
7
Molecular Weight
97.073
Exact Molecular Weight
97.0164
Valence Electrons
36
Radical Electrons
0
tPSA
46.17
MolLogP
-0.801
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
10 10 0 0 0 0 0 0 0 0999 V2000
2.4546 0.0942 0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2065 0.0506 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2638 1.1539 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9806 0.7206 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9145 -0.7244 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9040 -1.5079 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4421 -1.1500 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 2.1971 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 1.3130 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8087 -2.1470 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 2 1 0
3 8 1 0
4 9 1 0
7 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers